BCWB03 -OEChem-04022100292D 68 73 0 0 0 0 0 0 0999 V2000 12.6615 0.2799 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.6142 -0.6252 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.9249 0.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3035 -1.5757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9368 1.6788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9789 1.2705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0971 -1.9223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0912 -1.9214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6637 -0.3145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2706 2.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6241 0.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9158 1.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2916 2.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6452 0.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2875 0.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2875 0.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5820 1.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9785 -0.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5965 -0.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7875 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6025 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2602 0.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9631 -0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3992 -0.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3508 -0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1588 -1.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6615 0.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9689 -0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9194 -0.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5647 -0.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3090 -0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2595 -0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1028 0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0038 0.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8471 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7976 1.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7976 2.7510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0405 3.0002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6434 0.1092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2378 0.6403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4428 2.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6857 2.4587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2724 2.8401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 2.3090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1182 0.1983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8752 -0.0510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8940 0.6901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2227 1.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8009 1.9333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 0.0153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7783 -1.2140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8734 1.6733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 0.9398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1266 0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7336 -2.4245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1577 -1.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2979 0.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6274 -1.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4073 -1.3649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5358 0.2922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2727 -1.4828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0526 -1.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3874 -1.1853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5135 0.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5932 -0.1034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7192 1.9850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2591 1.4817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 9 1 0 0 0 0 2 31 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 56 1 0 0 0 0 8 24 2 0 0 0 0 9 30 1 0 0 0 0 9 61 1 0 0 0 0 10 13 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 14 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 17 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 15 21 1 0 0 0 0 16 19 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 24 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 64 1 0 0 0 0 34 36 2 0 0 0 0 34 65 1 0 0 0 0 35 37 2 0 0 0 0 35 66 1 0 0 0 0 36 37 1 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 M END $$$$